SCHEMBL31599679

SCHEMBL31599679

C=C(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
NPFFR2 Q9Y5X5 1/20 0.50
SRD5A2 P31213 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 3/20 0.42
ATM Q13315 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2014424 1.00 TSHR (0.52) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL10336410 0.82 HSD17B10 (0.48) TSHRNPFFR2GAAHSD17B10HPGD
SCHEMBL30482512 0.82 MEN1 (0.38) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL19153456 0.82 TSHR (0.45) TSHRNPFFR2KMT2ASMN1; SMN2GAA
SCHEMBL11145835 0.82 HSP90AA1 (0.49) TSHRNPFFR2SMN1; SMN2HSD17B10HPGD
SCHEMBL9274485 0.82 MEN1 (0.38) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL6128400 0.82 CYP3A4 (0.45) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL11012802 0.80 CYP3A4 (0.46) TSHRNPFFR2MEN1KMT2ASMN1; SMN2
SCHEMBL22775248 0.80 CA12 (0.48) TSHRNPFFR2MEN1KMT2ASMN1; SMN2
SCHEMBL7982038 0.80 MAOA (0.43) TSHRMEN1KMT2ASMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120077035-A As CX32,4, 6-Trisubstituted 1,3, 5-triazines as modulators of CR1 阿斯利康(瑞典)有限公司 2025-05-30 CN disclosed